Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7975755

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3sc(CC(=O)O)cc3C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.61
ITGA2B P08514 7/20 0.61
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.41
HCRTR2 O43614 5/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HCRTR1 O43613 3/20 0.37
P2RX7 Q99572 1/20 0.36
F10 P00742 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7989510 0.96 ITGB3 (0.65) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL7986792 0.91 ITGB3 (0.55) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL8133864 0.91 ITGB3 (0.55) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL7985672 0.91 ITGB3 (0.53) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7988424 0.87 ITGB3 (0.57) ITGB3ITGA2BKMT2ACA2HCRTR2
SCHEMBL7985679 0.86 ITGB3 (0.46) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL7986317 0.86 ITGB3 (0.56) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL7989116 0.85 ITGB3 (0.49) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7989225 0.84 ITGB3 (0.48) ITGB3ITGA2BKMT2ACA2HCRTR2
Trifluoroacetic Acid SCHEMBL7986775 0.83 ITGB3 (0.46) ITGB3ITGA2BKMT2AHCRTR2PRMT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed